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<div>Understood, thanks.</div>
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<div id="AppleMailSignature">I thought about it more last night. What if I wrote a script to do this sequentially on-the-fly, by stepping md forward by 1, and stopping to run other jobs... for example (pseudocode)</div>
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<div id="AppleMailSignature">while True:</div>
<div id="AppleMailSignature"> do_md_calculation(Nstep=1, restart_mode="restart", prefix="my_prefix") </div>
<div id="AppleMailSignature"> do _something _else(prefix="my_prefix") </div>
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<div id="AppleMailSignature">Details aside, does that seem reasonable?</div>
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<div><span style="background-color: rgba(255, 255, 255, 0);">Allen Majewski</span></div>
<div><span style="background-color: rgba(255, 255, 255, 0);">------------------</span></div>
<div><span style="background-color: rgba(255, 255, 255, 0);">Department of Physics </span></div>
<div><span style="background-color: rgba(255, 255, 255, 0);">University of Florida, NPB B164 </span></div>
<div><a target="_blank" style="background-color: rgba(255, 255, 255, 0);">majewski@phys.ufl.edu</a></div>
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On Nov 5, 2016, at 07:01, "<a href="mailto:pw_forum-request@pwscf.org">pw_forum-request@pwscf.org</a>" <<a href="mailto:pw_forum-request@pwscf.org">pw_forum-request@pwscf.org</a>> wrote:<br>
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<div>Re: Saving wfcs at intermediate MD steps (was: no subject)</div>
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